C147-0181 Screening compound: 2-[(2-tert-butylphenoxy)methyl]-1-methyl-1H-1,3-benzodiazole

C147-0181 Screening compound: 2-[(2-tert-butylphenoxy)methyl]-1-methyl-1H-1,3-benzodiazole
C147-0181 Screening compound: 2-[(2-tert-butylphenoxy)methyl]-1-methyl-1H-1,3-benzodiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound C147-0181
2-[(2-tert-butylphenoxy)methyl]-1-methyl-1H-1,3-benzodiazole

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

C147-0181

Molecular Formula

C19H22N2O (C19 H22 N2 O)

Compound Name

2-[(2-tert-butylphenoxy)methyl]-1-methyl-1H-1,3-benzodiazole

IUPAC name

2-[(2-tert-butylphenoxy)methyl]-1-methyl-1H-13-benzodiazole

SMILES

CC(C)(C)c(cccc1)c1OCc1nc(cccc2)c2n1C

InChI

InChI=1S/C19H22N2O/c1-19(2,3)14-9-5-8-12-17(14)22-13-18-20-15-10-6-7-11-16(15)21(18)4/h5-12H,13H2,1-4H3

InChI Key

OJTZYESORARIDJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05998035

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

294.4

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.506

Distribution Coefficient, logD

4.503

Water Solubility, LogSw

-4.55

Polar Surface Area

19.539

Acid Dissociation Constant (pKa)

26.49

Base Dissociation Constant (pKb)

5.15

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.60

C147-0181 in Drug Discovery

Included in Screening Libraries

CNS BBB Library (22607 compounds)

Cardiovascular Library (22201 compounds)

Selective Target Activity Profiling Library (14702 compounds)

Therapeutical Diversity Annotated Library (7563 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Cardiovascular
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with C147-0181 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C147-0181?
Check Price and Availability of C147-0181, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of C147-0181 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C147-0181
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C147-0181
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of C147-0181 available by request